Hg3Te2BrI Minets Y V, Voroshilov Y V, Pan'ko V V Journal of Alloys and Compounds 367 (2004) 109-114 The structures of mercury chalcogenhalogenides Hg3X2Hal2 _database_code_amcsd 0012831 CELL PARAMETERS: 18.3760 9.5870 10.5750 90.000 90.120 90.000 SPACE GROUP: C2 X-RAY WAVELENGTH: 1.541838 Cell Volume: 1863.001 Density (g/cm3): 7.584 MAX. ABS. INTENSITY / VOLUME**2: 51.98561058 RIR: 2.232 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.36 50.02 10.5750 0 0 1 2 10.41 16.87 8.4998 1 1 0 2 12.75 19.29 6.9430 -2 0 1 2 12.78 23.22 6.9286 2 0 1 2 13.36 11.49 6.6282 -1 1 1 2 13.37 4.57 6.6219 1 1 1 2 16.77 35.77 5.2875 0 0 2 2 17.18 13.88 5.1617 3 1 0 2 18.51 31.13 4.7935 0 2 0 1 19.12 8.19 4.6419 -3 1 1 2 19.15 29.73 4.6354 3 1 1 2 19.32 20.60 4.5940 4 0 0 2 19.35 3.56 4.5870 -2 0 2 2 19.39 3.43 4.5787 2 0 2 2 19.78 2.47 4.4877 1 1 2 2 20.34 38.65 4.3659 0 2 1 2 21.07 25.54 4.2168 -4 0 1 2 21.10 25.16 4.2103 4 0 1 2 22.54 20.42 3.9447 -2 2 1 2 22.56 13.30 3.9420 2 2 1 2 24.07 34.34 3.6968 -3 1 2 2 24.12 6.07 3.6903 3 1 2 2 25.07 39.34 3.5513 0 2 2 2 25.27 57.22 3.5250 0 0 3 2 25.66 14.73 3.4715 -4 0 2 2 25.72 17.17 3.4643 4 0 2 2 26.88 45.69 3.3167 4 2 0 2 26.90 6.87 3.3141 -2 2 2 2 26.93 9.16 3.3109 2 2 2 2 27.07 1.33 3.2934 -2 0 3 2 27.31 1.93 3.2660 -5 1 1 2 27.40 1.46 3.2550 1 1 3 2 28.19 36.02 3.1661 -4 2 1 2 28.21 29.73 3.1634 4 2 1 2 28.35 33.46 3.1484 1 3 0 2 29.60 19.77 3.0178 -1 3 1 2 29.61 20.16 3.0172 1 3 1 2 30.37 51.15 2.9434 -6 0 1 2 30.40 46.79 2.9401 6 0 1 2 30.74 14.14 2.9086 3 1 3 2 31.10 3.60 2.8760 5 1 2 2 31.50 17.38 2.8398 0 2 3 2 31.58 4.28 2.8333 3 3 0 2 31.83 70.63 2.8116 -4 2 2 2 31.87 75.69 2.8078 4 2 2 2 31.97 2.71 2.7994 -4 0 3 2 32.04 3.18 2.7938 4 0 3 2 32.71 6.35 2.7374 -3 3 1 2 32.73 1.13 2.7361 3 3 1 2 33.00 12.84 2.7145 -2 2 3 2 33.03 8.67 2.7119 2 2 3 2 33.11 1.35 2.7056 -1 3 2 2 33.12 13.89 2.7047 1 3 2 2 33.79 2.41 2.6526 -6 0 2 2 33.85 2.49 2.6478 6 0 2 2 33.91 100.00 2.6437 0 0 4 2 35.31 2.76 2.5421 -2 0 4 2 35.35 3.46 2.5392 2 0 4 2 35.45 2.06 2.5319 7 1 0 2 35.57 1.37 2.5238 1 1 4 2 35.80 6.05 2.5083 -6 2 1 2 35.83 8.61 2.5062 6 2 1 2 35.95 2.44 2.4983 -3 3 2 2 35.98 2.40 2.4963 3 3 2 2 36.51 2.84 2.4612 7 1 1 2 37.53 80.04 2.3967 0 4 0 1 38.22 4.76 2.3547 -3 1 4 2 38.27 1.49 2.3519 -5 3 1 2 38.33 11.91 2.3486 -1 3 3 2 38.34 1.06 2.3477 1 3 3 2 38.51 2.59 2.3375 0 4 1 2 38.90 7.69 2.3150 0 2 4 2 38.91 9.20 2.3143 -6 0 3 2 39.00 8.15 2.3095 6 0 3 2 39.22 61.99 2.2970 8 0 0 2 39.28 5.09 2.2935 -4 0 4 2 39.36 6.60 2.2893 4 0 4 2 39.43 1.13 2.2854 -7 1 2 2 39.79 1.26 2.2656 -2 4 1 2 40.15 5.30 2.2458 -2 2 4 2 40.16 1.11 2.2456 -8 0 1 2 40.19 3.37 2.2439 2 2 4 2 40.19 1.15 2.2437 8 0 1 2 40.84 2.05 2.2094 -3 3 3 2 40.88 4.60 2.2073 3 3 3 2 41.36 2.78 2.1830 0 4 2 2 42.54 4.11 2.1249 4 4 0 2 42.75 1.20 2.1150 0 0 5 2 43.15 1.55 2.0963 -5 1 4 2 43.42 8.10 2.0841 -6 2 3 2 43.43 3.93 2.0837 -4 4 1 2 43.45 4.48 2.0829 4 4 1 2 43.50 8.69 2.0806 6 2 3 2 43.70 5.14 2.0714 8 2 0 2 43.76 20.79 2.0689 -4 2 4 2 43.82 17.85 2.0658 4 2 4 2 44.56 3.79 2.0335 -8 2 1 2 44.59 1.93 2.0321 8 2 1 2 44.67 12.40 2.0285 7 3 0 2 44.77 10.50 2.0243 1 3 4 2 45.26 3.41 2.0033 -6 0 4 2 45.36 3.71 1.9992 6 0 4 2 45.52 6.77 1.9928 -7 3 1 2 45.55 9.61 1.9916 7 3 1 2 45.78 10.24 1.9820 0 4 3 2 46.02 7.42 1.9723 -4 4 2 2 46.05 8.30 1.9710 4 4 2 2 46.37 1.24 1.9583 -3 1 5 2 46.43 1.38 1.9559 3 1 5 2 46.88 1.48 1.9379 -2 4 3 2 46.96 2.80 1.9350 0 2 5 2 46.99 1.93 1.9339 -3 3 4 2 47.03 1.63 1.9320 3 3 4 2 47.09 7.37 1.9300 -8 2 2 2 47.15 5.63 1.9275 8 2 2 2 47.18 5.49 1.9263 -8 0 3 2 47.28 3.69 1.9227 -4 0 5 2 47.28 5.53 1.9226 8 0 3 2 47.36 3.28 1.9196 4 0 5 2 47.69 1.93 1.9070 1 5 0 2 48.01 6.73 1.8949 -7 3 2 2 48.07 1.72 1.8929 7 3 2 2 48.07 2.42 1.8927 2 2 5 2 48.51 1.05 1.8767 1 5 1 2 49.01 11.99 1.8585 -6 4 1 2 49.04 13.16 1.8577 6 4 1 2 50.10 2.16 1.8206 -4 4 3 2 50.15 2.10 1.8191 4 4 3 2 50.39 1.09 1.8111 -10 0 1 2 50.42 1.28 1.8098 10 0 1 2 50.63 1.89 1.8029 3 5 1 2 50.91 1.27 1.7938 1 5 2 2 51.10 3.81 1.7874 -8 2 3 2 51.19 12.40 1.7845 -4 2 5 2 51.19 5.36 1.7844 8 2 3 2 51.27 12.03 1.7821 4 2 5 2 51.46 35.97 1.7757 0 4 4 2 52.05 6.75 1.7569 7 3 3 2 52.08 2.89 1.7559 -1 3 5 2 52.47 1.04 1.7439 -2 4 4 2 52.53 5.72 1.7420 -6 0 5 2 52.64 4.24 1.7386 6 0 5 2 52.74 12.42 1.7357 -8 0 4 2 52.85 14.62 1.7322 8 0 4 2 52.94 3.07 1.7296 -3 5 2 2 54.68 1.55 1.6787 -5 5 1 2 54.72 2.33 1.6775 -1 5 3 2 55.03 1.12 1.6688 -3 1 6 2 55.17 3.39 1.6649 -6 4 3 2 55.23 2.03 1.6631 6 4 3 2 55.40 24.77 1.6584 8 4 0 2 55.45 1.65 1.6570 -4 4 4 2 55.51 2.44 1.6555 4 4 4 2 55.55 1.31 1.6542 0 2 6 2 55.83 1.63 1.6467 -4 0 6 2 55.91 2.19 1.6444 4 0 6 2 56.34 1.06 1.6330 -10 2 2 2 56.38 1.73 1.6320 -8 2 4 2 56.41 1.05 1.6311 10 2 2 2 56.42 2.61 1.6309 -10 0 3 2 56.51 2.57 1.6286 -2 2 6 2 56.53 2.30 1.6281 10 0 3 2 56.55 1.90 1.6275 2 2 6 2 56.69 1.62 1.6236 3 5 3 2 56.77 1.09 1.6216 7 1 5 2 56.91 1.63 1.6179 5 5 2 2 57.20 5.61 1.6106 -7 3 4 2 58.41 1.34 1.5799 0 6 1 2 60.18 1.89 1.5377 1 3 6 2 60.29 1.88 1.5352 6 4 4 2 60.41 1.20 1.5323 -7 5 1 2 60.53 1.22 1.5295 0 6 2 2 61.37 2.88 1.5107 0 0 7 2 61.44 3.83 1.5092 4 6 0 2 61.66 1.63 1.5042 3 5 4 2 61.79 2.16 1.5015 -8 4 3 2 61.87 1.33 1.4998 -4 4 5 2 61.87 1.90 1.4997 8 4 3 2 61.93 1.29 1.4983 4 4 5 2 62.26 1.70 1.4912 -2 0 7 2 62.31 1.04 1.4902 2 0 7 2 63.61 3.14 1.4628 7 3 5 2 63.81 2.14 1.4587 12 2 0 2 64.16 2.98 1.4515 -4 6 2 2 64.19 3.34 1.4509 4 6 2 2 64.46 1.48 1.4454 -12 2 1 2 64.52 1.28 1.4443 10 4 1 2 64.69 1.13 1.4408 0 2 7 2 64.71 1.55 1.4406 -10 2 4 2 65.92 1.37 1.4170 7 5 3 2 66.33 3.55 1.4091 -6 4 5 2 66.43 2.95 1.4073 6 4 5 2 66.45 4.69 1.4069 -12 2 2 2 66.51 7.24 1.4058 -8 4 4 2 66.53 5.41 1.4055 12 2 2 2 66.61 8.93 1.4039 8 4 4 2 67.69 1.91 1.3842 -3 5 5 2 68.73 2.17 1.3658 1 7 0 2 69.22 1.42 1.3572 -4 4 6 2 69.30 1.75 1.3559 4 4 6 2 69.38 2.11 1.3546 -1 7 1 2 69.38 1.78 1.3545 1 7 1 2 69.75 2.35 1.3483 -10 4 3 2 69.84 1.61 1.3467 10 4 3 2 70.62 1.40 1.3338 -10 2 5 2 70.76 1.04 1.3315 -7 3 6 2 70.78 1.36 1.3312 10 2 5 2 71.32 1.76 1.3223 1 7 2 2 71.35 1.87 1.3219 0 0 8 2 72.03 2.42 1.3110 -4 6 4 2 72.08 2.04 1.3103 4 6 4 2 72.43 1.20 1.3048 -6 2 7 2 72.55 3.10 1.3029 -14 0 1 2 72.56 1.37 1.3028 6 2 7 2 72.60 2.81 1.3022 14 0 1 2 74.18 1.88 1.2783 -12 2 4 2 74.20 1.46 1.2780 0 4 7 2 74.33 1.32 1.2761 12 2 4 2 74.50 1.66 1.2736 -1 7 3 2 74.68 1.00 1.2710 -4 0 8 2 74.78 1.23 1.2696 4 0 8 2 75.02 1.41 1.2661 -2 4 7 2 75.64 1.01 1.2573 -14 2 1 2 75.68 1.21 1.2567 14 2 1 2 77.57 1.04 1.2306 -10 2 6 2 77.68 1.20 1.2292 14 0 3 2 77.73 4.17 1.2286 -4 2 8 2 77.83 3.76 1.2273 4 2 8 2 78.82 2.07 1.2143 7 7 0 2 78.89 1.60 1.2133 1 7 4 2 79.43 1.45 1.2065 -7 7 1 2 79.45 1.97 1.2062 7 7 1 2 80.08 1.53 1.1984 0 8 0 1 80.57 1.79 1.1922 -14 2 3 2 80.70 1.32 1.1907 14 2 3 2 81.28 1.67 1.1837 -7 7 2 2 82.59 1.34 1.1682 -10 0 7 2 82.80 1.17 1.1658 10 0 7 2 83.52 1.84 1.1575 0 4 8 2 84.40 1.66 1.1477 7 7 3 2 84.67 2.06 1.1447 -14 4 1 2 84.71 2.05 1.1442 14 4 1 2 85.83 1.31 1.1322 2 2 9 2 87.36 1.13 1.1163 -14 0 5 2 87.56 1.06 1.1142 14 0 5 2 88.60 1.49 1.1038 -7 7 4 2 89.87 1.64 1.0915 0 8 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.